zinc 2-[10,20-bis(3,5-ditert-butylphenyl)porphyrin-21,22-diid-5-yl]ethynyl-trimethyl-silane

Systemtic Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)porphyrin-21,22-diid-5-yl]ethynyl-trimethyl-silane Openeye Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)porphyrin-21,22-diid-5-yl]ethynyl-trimethyl-silane CAS Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)-5-porphyrin-21,22-diidyl]ethynyl-trimethylsilane IUPAC Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)porphyrin-21,22-diid-5-yl]ethynyl-trimethylsilane Traditional Name: zinc 2-[10,20-bis(3,5-ditert-butylphenyl)porphine-21,22-diid-5-yl]ethynyl-trimethyl-silane Formula: C53H60N4SiZn MolecularWeight: 846.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C#C[Si](C)(C)C)[N-]3)C(C)(C)C.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C#C[Si](C)(C)C)[N-]3)C(C)(C)C.[Zn+2]

InChI

InChI=1S/C53H60N4Si.Zn/c1-50(2,3)35-26-33(27-36(30-35)51(4,5)6)48-44-18-16-39(54-44)32-40-17-19-45(55-40)49(34-28-37(52(7,8)9)31-38(29-34)53(10,11)12)47-23-21-43(57-47)41(24-25-58(13,14)15)42-20-22-46(48)56-42;/h16-23,26-32H,1-15H3;/q-2;+2